2-[3-[1-(phenylmethyl)pyridin-1-ium-3-yl]propyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[3-[1-(phenylmethyl)pyridin-1-ium-3-yl]propyl]isoindole-1,3-dione bromide Openeye Name: 2-[3-(1-benzylpyridin-1-ium-3-yl)propyl]isoindoline-1,3-dione bromide CAS Name: 2-[3-[1-(phenylmethyl)-3-pyridin-1-iumyl]propyl]isoindole-1,3-dione bromide IUPAC Name: 2-[3-(1-benzylpyridin-1-ium-3-yl)propyl]isoindole-1,3-dione bromide Traditional Name: 2-[3-(1-benzylpyridin-1-ium-3-yl)propyl]isoindoline-1,3-quinone bromide Formula: C23H21BrN2O2 MolecularWeight: 437.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C23H21N2O2.BrH/c26-22-20-12-4-5-13-21(20)23(27)25(22)15-7-11-19-10-6-14-24(17-19)16-18-8-2-1-3-9-18;/h1-6,8-10,12-14,17H,7,11,15-16H2;1H/q+1;/p-1